N-methyl-1-[1-(1-phenylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride

C15H21ClN4O2S — CID 119991320

IUPACN-methyl-1-[1-(1-phenylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
SMILESCNCC1CCCN1S(=O)(=O)c1cnn(-c2ccccc2)c1.Cl
InChIInChI=1S/C15H20N4O2S.ClH/c1-16-10-14-8-5-9-19(14)22(20,21)15-11-17-18(12-15)13-6-3-2-4-7-13;/h2-4,6-7,11-12,14,16H,5,8-10H2,1H3;1H
InChIKeyJUQBRUODALNSBU-UHFFFAOYSA-N
MW356.88 g/mol
LogP1.67
Rot. Bonds5

About N-methyl-1-[1-(1-phenylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride

N-methyl-1-[1-(1-phenylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride (PubChem CID 119991320) has the molecular formula C15H21ClN4O2S and a molecular weight of 356.88 g/mol. Its IUPAC name is N-methyl-1-[1-(1-phenylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-[1-(1-phenylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
PubChem CID119991320
Molecular FormulaC15H21ClN4O2S
Molecular Weight356.88 g/mol
Exact Mass356.11
IUPAC NameN-methyl-1-[1-(1-phenylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
SMILESCNCC1CCCN1S(=O)(=O)c1cnn(-c2ccccc2)c1.Cl
InChIInChI=1S/C15H20N4O2S.ClH/c1-16-10-14-8-5-9-19(14)22(20,21)15-11-17-18(12-15)13-6-3-2-4-7-13;/h2-4,6-7,11-12,14,16H,5,8-10H2,1H3;1H
InChIKeyJUQBRUODALNSBU-UHFFFAOYSA-N
XLogP1.67
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.88
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-[1-[1-(4-methylphenyl)pyrazol-4-yl]sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119990922
[1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
CID 119969606
N-methyl-1-[1-(4-phenylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119991254
N-methyl-1-(1-phenylpyrazol-4-yl)sulfonylpiperidine-2-carboxamide
CID 51094154
[(2R)-1-[1-(4-methylphenyl)pyrazol-4-yl]sulfonylpyrrolidin-2-yl]methanesulfonamide
CID 97257956
N-methyl-1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride
CID 119980335
1-[1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-2-yl]propan-1-one
CID 166221559
1-[1-(2-bromophenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
CID 115316542
1-[(2S)-1-(2-bromophenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
CID 124574951
1-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
CID 113285287
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one;hydrochloride
CID 119649031
1-[1-[(5-fluoro-3-pyridinyl)sulfonyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
CID 119991049

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(1-phenylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride?
The IUPAC name of N-methyl-1-[1-(1-phenylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride (CID 119991320) is N-methyl-1-[1-(1-phenylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride.
What is the SMILES notation for N-methyl-1-[1-(1-phenylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride?
The canonical SMILES for N-methyl-1-[1-(1-phenylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride is CNCC1CCCN1S(=O)(=O)c1cnn(-c2ccccc2)c1.Cl.
What is the InChIKey of N-methyl-1-[1-(1-phenylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride?
The InChIKey is JUQBRUODALNSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S.ClH/c1-16-10-14-8-5-9-19(14)22(20,21)15-11-17-18(12-15)13-6-3-2-4-7-13;/h2-4,6-7,11-12,14,16H,5,8-10H2,1H3;1H.
What are the key properties of N-methyl-1-[1-(1-phenylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride?
N-methyl-1-[1-(1-phenylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride has a molecular weight of 356.88 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(1-phenylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 119991320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).